Crystallography Open Database

Information card for entry 4306990

Preview

Coordinates	4306990.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	eisaa03
Formula	C45 H32 I Ir O P2
Calculated formula	C45 H32 I Ir O P2
Title of publication	Diastereoselective Oxidative Addition of Dihydrogen to IrI(CO)((R)-BINAP) and [Ir(CO)2((R)-BINAP)][SbF6]
Authors of publication	Abdurrahman Ç. Atesin; Simon B. Duckett; Christine Flaschenriem; William W. Brennessel; Richard Eisenberg
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	1196 - 1204
a	12.0023 ± 0.001 Å
b	12.0023 ± 0.001 Å
c	26.132 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3764.5 ± 0.7 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.0689
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179107 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/69.	4306990.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306990.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306990.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4306990.cif